Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.1928   -0.1268   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9217    0.6150    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554   -0.2594    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763   -1.4882   -0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5666    0.2928    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -0.4351    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    0.5264    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987   -1.0622    0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   -0.3998   -1.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9995    1.0846    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    1.3811   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    1.3642    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6064   -0.0121    0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -1.4806    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers